4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine

C20H19N5O — CID 166890004

IUPAC4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1
InChIInChI=1S/C20H19N5O/c1-21-15-5-7-16(8-6-15)24-19-20-23-13-18(25(20)12-11-22-19)14-3-9-17(26-2)10-4-14/h3-13,21H,1-2H3,(H,22,24)
InChIKeyONFYFABRQMDUPO-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.19
Rot. Bonds5

About 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine

4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine (PubChem CID 166890004) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
PubChem CID166890004
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine
SMILESCNc1ccc(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1
InChIInChI=1S/C20H19N5O/c1-21-15-5-7-16(8-6-15)24-19-20-23-13-18(25(20)12-11-22-19)14-3-9-17(26-2)10-4-14/h3-13,21H,1-2H3,(H,22,24)
InChIKeyONFYFABRQMDUPO-UHFFFAOYSA-N
XLogP4.19
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine (CID 166890004) is 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine is CNc1ccc(Nc2nccn3c(-c4ccc(OC)cc4)cnc23)cc1.
What is the InChIKey of 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine?
The InChIKey is ONFYFABRQMDUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-21-15-5-7-16(8-6-15)24-19-20-23-13-18(25(20)12-11-22-19)14-3-9-17(26-2)10-4-14/h3-13,21H,1-2H3,(H,22,24).
What are the key properties of 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine?
4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 166890004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).